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CHEBI:180736 - Hovenidulcioside B2

ChEBI IDCHEBI:180736
ChEBI NameHovenidulcioside B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H60O12
Net Charge0
Average Mass708.886
Monoisotopic Mass708.40848
SMILES[H][C@]12CC[C@]([H])([C@@H](C)[C@H](C[C@@H]3C[C@@H](C)C(=O)O3)OC(C)=O)[C@]3(COC(=O)C3)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C
InChIInChI=1S/C38H60O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h19-20,22-28,30-32,34,39,42-44H,8-18H2,1-7H3/t19-,20-,22+,23-,24+,25-,26+,27-,28+,30-,31+,32-,34+,36+,37-,38+/m1/s1
InChIKeyZWAMUWXPVAELPG-HRVCMFSSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
Hovenidulcioside B2 (CHEBI:180736) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
[(2S,3R)-3-[(1S,2R,4aR,4bR,7S,8aR,10aR)-4b,8,8,10a-tetramethyl-2'-oxo-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]butan-2-yl] acetate
Manual XrefsDatabases
2340695ChemSpider
Registry NumbersSources
CAS:174902-17-1ChemIDplus